(2S)-2-amino-3-cyclopropylpropanoic acid hydrochloride

• ChemBase ID: 812700
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: Cl.N[C@@H](CC1CC1)C(=O)O
• Canonical SMILES: N[C@H](C(=O)O)CC1CC1.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c7-5(6(8)9)3-4-1-2-4;/h4-5H,1-3,7H2,(H,8,9);1H/t5-;/m0./s1
• InChIKey: MHAANNBRVRNYCJ-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3-cyclopropylpropanoic acid hydrochloride
• IUPAC Traditional name: (2S)-2-amino-3-cyclopropylpropanoic acid hydrochloride
• Synonyms: L-BETA-CYCLOPROPYLALANINE HYDROCHLORIDE

Database IDs

• CAS Number: 352525-31-6

CALCULATED PROPERTIES

• Acid pKa: 2.5090344
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0505943
• LogD (pH = 7.4): -2.053307
• Log P: -2.0504277
• Molar Refractivity: 32.3687 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%